SCHEMBL10177757

SCHEMBL10177757

O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cn1)c1ccc(-c2ccccc2S)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.72
KLK1 P06870 1/20 0.72
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
DEGS1 O15121 1/20 0.50
MEN1 O00255 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12134356 0.88 F10 (0.74) F10
SCHEMBL12134427 0.87 F10 (0.59) F10KLK1KMT2ATDP1GAA
SCHEMBL15090377 0.86 F10 (0.73) F10KLK1KMT2ATDP1
SCHEMBL15090356 0.85 F10 (0.79) F10KLK1KMT2ATDP1
SCHEMBL890930 0.84 F10 (0.82) F10KLK1KMT2ATDP1GAA
SCHEMBL890858 0.84 F10 (1.00) F10KLK1KMT2ATDP1GAA
SCHEMBL15090374 0.83 F10 (0.71) F10KLK1KMT2ATDP1
SCHEMBL890779 0.81 F10 (0.76) F10KLK1KMT2ATDP1NPC1
SCHEMBL12132551 0.81 F10 (0.63) F10KLK1KMT2ATDP1NPC1
SCHEMBL890777 0.80 F10 (0.62) F10KLK1KMT2ATDP1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-7727982-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885KLK1 637/4885KMT2A 1317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.